3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide

C13H13ClN2O4S2 — CID 2922037

IUPAC3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O4S2/c1-9-2-5-12(21(15,17)18)8-13(9)16-22(19,20)11-6-3-10(14)4-7-11/h2-8,16H,1H3,(H2,15,17,18)
InChIKeyNKKRTEPKSOPCHN-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.10
Rot. Bonds4

About 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide

3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide (PubChem CID 2922037) has the molecular formula C13H13ClN2O4S2 and a molecular weight of 360.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide
PubChem CID2922037
Molecular FormulaC13H13ClN2O4S2
Molecular Weight360.84 g/mol
Exact Mass360.00
IUPAC Name3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O4S2/c1-9-2-5-12(21(15,17)18)8-13(9)16-22(19,20)11-6-3-10(14)4-7-11/h2-8,16H,1H3,(H2,15,17,18)
InChIKeyNKKRTEPKSOPCHN-UHFFFAOYSA-N
XLogP2.10
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

p-Toluenesulfono-o-toluidide
CID 66457
Benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-
CID 117071
Benzenesulfonamide, N-(4-chlorophenyl)-4-methyl-
CID 76182
4-chloro-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 295192
4-Chloro-4'-ethylbenzenesulfonanilide
CID 710437
4-chloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 3606565
N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 246655
N-(2-Chlorophenyl)-4-methylbenzenesulfonamide
CID 80791
3-Amino-4-methylbenzenesulfonamide
CID 235510
4-chloro-N-(3-chloro-4-methylphenyl)benzenesulfonamide
CID 295196
N-(4-butylphenyl)-4-chlorobenzenesulfonamide
CID 1581457
2-chloro-N-(2-methylphenyl)-5-(methylsulfonyl)benzenesulfonamide
CID 990927

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide (CID 2922037) is 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide?
The InChIKey is NKKRTEPKSOPCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S2/c1-9-2-5-12(21(15,17)18)8-13(9)16-22(19,20)11-6-3-10(14)4-7-11/h2-8,16H,1H3,(H2,15,17,18).
What are the key properties of 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide?
3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide has a molecular weight of 360.84 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfonylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 2922037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).